Related papers: Fluctuational Electrodynamics in Atomic and Macros…
I revisit the problem of the interaction between two dissimilar atoms with one atom in an excited state, recently addressed by the authors of Refs.[1-3], and for which precedent approaches have given conflicting results. In the first place,…
Exchange bias effect plays a crucial role in modern magnetic memory technology. Recently, van der Waals magnetic materials have emerged and shown potential in spintronic devices at atomic scale. Owing to their tunable physical properties…
The retarded Van der Waals force between a polarizable particle and a perfectly conducting plate is re-examined. The expression for this force given by Casimir and Polder represents a mean force, but there are large fluctuations around this…
A general near-field thermal electromagnetic transport formalism that is independent of the size, shape and number of heat sources is derived. The formalism is based on fluctuational electrodynamics, where fluctuating currents due to…
For the moment, there is no exact description of van der Waals (vdW) interactions. ACFD-RPA \cite{Gould1} is expected to better describe vdW bonding, but it is not exact. The PBE/DFT-D2 method is less satisfactory, however, its results are…
Reducible oxides are widely used catalyst supports that can increase oxidation reaction rates by transferring their lattice oxygen at the metal-support interface. The interfacial oxidation process is typically described in terms of a…
We have carried out a comparative study of the electronic specific heat and electronic structure of $\alpha$ and $\delta$-plutonium using dynmical mean field theory (DMFT). We use the perturbative T-matrix and fluctuating exchange (T-matrix…
A modified static exchange model is introduced, it could be useful to control the elastic s-wave scattering length in studying cold-atomic interaction. The theory includes the long-range van der Waals interaction in addition to short-range…
Density fitting is used throughout quantum chemistry to simplify the electron-electron interaction energy (EE). A fundamental property of quantum chemistry, and DFT in particular, is that a variational principle connects the EE to a…
In this work, the solvation and electronic structure of the aqueous chloride ion solution was investigated using Density Functional Theory (DFT) based \textit{ab initio} molecular dynamics (AIMD). From an analysis of radial distribution…
There is enormous recent interest in weak, van der Waals-type (vdW) interactions due to their fundamental relevance for two-dimensional materials and the so-called vdW heterostructures. Tackling this problem using computer simulation is…
Fluctuations in fluid velocity and fluctuations in electric fields may both give rise to forces acting on small particles in colloidal suspensions. Such forces in part determine the thermodynamic stability of the colloid. At the classical…
A new variable Eddington factor (VEF) model is presented for nonlinear problems of thermal radiative transfer (TRT). The VEF model is a data-driven one that acts on known (a-priori) radiation-diffusion solutions for material temperatures in…
Another way to evaluate the spectral-correlation properties of thermal fields of solids is suggested. Such a method takes into account detailed structure of the interface transition layer separating one bulk region from those of the vacuum…
Simulating electrochemical interfaces using density functional theory (DFT) requires incorporating the effects of electrochemical potential. The electrochemical potential acts as a new degree of freedom that can effectively tune DFT results…
We review in this article the influence of surface waves on the thermally excited electromagnetic field. We study in particular the field emitted at subwalength distances of material surfaces. After reviewing the main properties of surface…
DFT is a valuable tool for calculating adsorption energies toward designing materials for hydrogen storage. However, dispersion forces being absent from the theory, it remains unclear how the consideration of van der Waals (vdW)…
Initially, we make a detailed historical survey of van der Waals forces, collecting the main references on the subject. Then, we review a method recently proposed by Eberlein and Zietal to compute the dispersion van der Waals interaction…
Energy functionals serve as the basis for different models and methods in quantum and classical many-particle physics. Arguably, one of the most successful and widely used approaches in material science at both ambient and extreme…
The van der Waals (vdW) density functional (vdW-DF) method [ROPP 78, 066501 (2015)] describes dispersion or vdW binding by tracking the effects of an electrodynamic coupling among pairs of electrons and their associated exchange-correlation…